SCHEMBL8450776

SCHEMBL8450776

C=CC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.32
OPRL1 P41146 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8446866 0.95
SCHEMBL9013726 0.94 ESR2 (0.30) ESR2
SCHEMBL9013729 0.94 ESR2 (0.30) ESR2
SCHEMBL8446823 0.91
SCHEMBL8454802 0.88 ESR2 (0.30) ESR2
SCHEMBL8451651 0.88 ESR2 (0.32) ESR2OPRL1
SCHEMBL8451958 0.88 ESR2 (0.32) ESR2OPRL1
SCHEMBL8451771 0.86 ESR2 (0.33) ESR2OPRL1
SCHEMBL2852523 0.85
SCHEMBL8452693 0.85 ESR2 (0.30) ESR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647696-B1 Cyclohexane derivative CHISSO CORP (JP) 1999-04-21 EP disclosed
EP-0647696-A1 Cyclohexane derivative Chisso Corporation (JP) 1995-04-12 EP disclosed
US-5382379-A Cyclohexane derivative CHISSO CORPORATION (JP) 1995-01-17 US disclosed